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NMR characterization and molecular modeling of fucoidan showing the importance of oligosaccharide branching in its anticomplementary activity

Fucoidan is a potent inhibitor of the human complement system whose activity is mediated through interactions with certain proteins belonging to the classical pathway, particularly the protein C4.

出版机构:Oxford University Press

刊物名称:Glycobiology

出版时间:2010

ISSN:0959-6658

数据源:报刊文摘

The conformations of 17β-estradiol (E2) and 17α-estradiol as determined by solution NMR

The conformational structures of the hormone 17?-estradiol (E2) and the epimeric 17?-estradiol determined by solution NMR spectroscopy and restrained molecular dynamics calculations found a single low energy conformation.

出版机构:Elsevier Science

刊物名称:Tetrahedron Letters

出版时间:2010

ISSN:0040-4039

数据源:报刊文摘

Separation of triphenyl atropisomers of a pharmaceutical compound on a novel mixed mode stationary phase: A case study involving dynamic chromatography, dynamic NMR and molecular modeling

nalysis of atropisomers is of considerable interest in the pharmaceutical industry. For complex chiral molecules with several chiral centers hindered axial rotation can lead to formation of interconverting diastereomers that should be separable on achiral stationary phases.

出版机构:Elsevier Science

刊物名称:Journal of Chromatography A

出版时间:2010

ISSN:0021-9673

数据源:报刊文摘

Modeling and Spectroscopic Studies of Synthetic Diazabicyclo Analogs of the HIV‐1 Inhibitor BMS‐378806 and Evaluation of Their Antiviral Activity

Three diazabicyclo analogs of BMS?378806, in which theaxial methyl group present on its piperazine ring is replaced by a carbon bridge, were synthesized and tested, through a viral neutralization assay, on a panel of six pseudoviruses. The diazabicyclooctane and ?

出版机构:WILEY‐VCH Verlag

刊物名称:European Journal of Organic Chemistry

出版时间:2011

ISSN:1434-193X

数据源:报刊文摘

Asymmetric Phase Transfer Reactions Catalyzed by Chiral Crown Ethers Derived from Monosaccharides

One of the practical applications of sugar-based crown ethers involves their use as chiral catalysts in enantioselective phase transfer reactions.

出版机构:Bentham Science Publishers

刊物名称:Letters in Organic Chemistry

出版时间:2010

ISSN:1570-1786

数据源:报刊文摘

Conformational analysis of a quinolonic ribonucleoside with anti-HSV-1 activity

The infections caused by the Herpes Simplex Virus are one of the most common sources of diseases in adults and several natural nucleoside analogues are currently used in the treatment of these infections.

出版机构:Elsevier Science

刊物名称:Journal of Molecular Structure

出版时间:2011

ISSN:0022-2860

数据源:报刊文摘

Palladium(II) complex with S-allyl-l-cysteine: New solid-state NMR spectroscopic measurements, molecular modeling and antibacterial assays

HOMO (A) and LUMO (B) Kohn-Sham orbitals for the palladium(II) complex with S-allyl-l-cysteine. Color legends: Pd (green); S (yellow); O (red); N (blue); H (white).

出版机构:Elsevier Science

刊物名称:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版时间:2011

ISSN:1386-1425

数据源:报刊文摘

Comparison of the complexation between methylprednisolone and different cyclodextrins in solution by 1H-NMR and molecular modeling studies

Complexation in solution between methylprednisolone and three different cyclodextrins [2-hydroxypropyl-?-cyclodextrin (HP-?-CD), ?-cyclodextrin (?-CD), and 2-hydroxypropyl-?-cyclodextrin (HP-?-CD)] was studied using phase solubility analysis, one and two-dimensional 1H-NMR and molecular modeling.

出版机构:Wiley Subscription Services, Inc., A Wiley Company

刊物名称:Journal of Pharmaceutical Sciences

出版时间:2010

ISSN:0022-3549

数据源:报刊文摘

NMR studies of new arginine vasopressin analogs modified with α-2-indanylglycine enantiomers at position 2 bound to sodium dodecyl sulfate micelles

In this paper, we use NMR spectroscopy and molecular modeling to examine four new vasopressin analogs modified with ?-2-indanylglycine (Igl) at position 2, [L-Igl2]AVP (I), [D-Igl2]AVP (II), [Mpa1,L-Igl2]AVP (III) and [Mpa1,D-Igl2]AVP (IV), embedded in a sodium dodecyl sulfate (SDS) micelle.

出版机构:Elsevier Science

刊物名称:Biophysical Chemistry

出版时间:2010

ISSN:0301-4622

数据源:报刊文摘